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Search of structure and ligands exchange for palladium(II) complexes with N-allylimidazole; X-ray and solid-state/solution NMR studies
Authors:Krystyna Kurdziel  Andrzej Okruszek  Tadeusz G?owiak  Stefano Materazzi
Institution:a Institute of Chemistry, ?wi?tokrzyska Academy, Ch?cińska 5, 25-020 Kielce, Poland
b Department of Structural Studies, Centre of Molecular and Macromolecular Studies, Polish Academy of Sciences, Sienkiewicza 112, 90-363 ?ód?, Poland
c Institute of Technical Biochemistry, Technical University of ?ód?, PL-90924 ?ód?, Poland
d Faculty of Chemistry, Wroc?aw University, F. Joliot-Curie 14, 50-386 Wroc?aw, Poland
e X-ray Crystallography and Crystal Chemistry Group, Institute of General and Ecological Chemistry, Technical University of ?ód?, PL-90924 ?ód?, Poland
f Department of Chemistry, University of Rome “La Sapienza”, A. Moro 5, 00185 Rome, Italy
Abstract:Two coordination compounds of palladium(II) with N-allylimidazole (l) of the general formula PdL4]Cl2 · 3H2O (1) and trans-PdL2Cl2] (2) have been synthesized. The crystal and molecular structure of complexes 1 and 2 was established by single-crystal X-ray diffraction analysis. The X-ray structural data were supplemented by solid-state 13C NMR measurements (CP MAS and PASS 2D). The 1D and 2D NMR studies in solution reveal that complex 1 is unstable at room temperature and undergoes reversible decomposition to 2. The method for how to preserve a complex with four allyl-imidazole ligands in solution is shown.
Keywords:2D NMR  13C solid-state NMR  DFT calculations  NMR shielding  Metal complexes
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